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2-chloro-3-methanesulfonylpyridine - 97%, high purity , CAS No.70682-09-6
Discover 2-chloro-3-methanesulfonylpyridine by Aladdin Scientific in 97% for only $399.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-CHLORO-3-(METHYLSULFONYL)PYRIDINE | 70682-09-6 | 2-CHLORO-3-METHANESULFONYLPYRIDINE | 2-chloro-3-methylsulfonylpyridine | MFCD17016076 | SCHEMBL925929 | DTXSID20500971 | KRGYYSGWNZRJPY-UHFFFAOYSA-N | 2-chloro-3-methanesulphonylpyridine | VCA68209 | 2-Chloro-3-(methanesulfo
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
2-halopyridines
Alternative Parents
Aryl chlorides Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Aryl chloride - Aryl halide - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-chloro-3-methylsulfonylpyridine
INCHI
InChI=1S/C6H6ClNO2S/c1-11(9,10)5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey
KRGYYSGWNZRJPY-UHFFFAOYSA-N
Smiles
CS(=O)(=O)C1=C(N=CC=C1)Cl
Isomeric SMILES
CS(=O)(=O)C1=C(N=CC=C1)Cl
Molecular Weight
191.63
Reaxy-Rn
1451580
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1451580&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.640 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
190.981 Da
Monoisotopic Mass
190.981 Da
Topological Polar Surface Area
55.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
221.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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